Er(Tm3Sn2)2
Alexandria ALEXAlex-ID: agm003661741 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
Er3Tm2Sn3 ErTm5 Tm5Sn3
2022-04-08 13:35:45.339380
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661741).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003661741
data_agm003661741
_cell_length_a 8.00291
_cell_length_b 8.00291
_cell_length_c 8.00291
_cell_angle_alpha 85.38867
_cell_angle_beta 122.69712
_cell_angle_gamma 122.69712
_cell_volume 346.43444
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.00000 0.83991 0.50643 1.00000
Tm2 Tm 0.00000 0.50643 0.83991 1.00000
Tm3 Tm 0.66651 0.16009 0.16009 1.00000
Tm4 Tm 0.50000 0.00000 0.50000 1.00000
Tm5 Tm 0.33349 0.49357 0.49357 1.00000
Tm6 Tm 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.18600 0.62492 1.00000
Sn2 Sn 0.56109 0.37508 0.37508 1.00000
Sn3 Sn 0.00000 0.62492 0.18600 1.00000
Sn4 Sn 0.43891 0.81400 0.81400 1.00000
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